allct_dat = {
"TYR": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"INTX,KFORM":['INT', '1'],
	"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.064, 'type': 'HC'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"OH":{'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.36, 'charge': -0.528, 'type': 'OH'},
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.064, 'type': 'HC'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.102, 'type': 'HC'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.102, 'type': 'HC'},
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.4, 'charge': -0.002, 'type': 'CA'},
	"NAMRES":'TYROSINE  COO- ANION',
	"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.002, 'type': 'CA'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HH', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.264, 'type': 'CA'},
	"CE2":{'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 19, 'angle': 120.0, 'blen': 1.4, 'charge': -0.264, 'type': 'CA'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"HH":{'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 113.0, 'blen': 0.96, 'charge': 0.334, 'type': 'HO'},
	"CZ":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': 0.462, 'type': 'C'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': -0.03, 'type': 'CA'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"ASN": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'ND2', 'HD21', 'HD22', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"ND2":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.086, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'ND2', 'CG', 'OD1'], ['CG', 'HD21', 'ND2', 'HD22']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD21":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"OD1":{'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'},
	"HD22":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'ASPARAGINE    COO- ANION',
},
"CYS": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'HSG', 'LP1', 'LP2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"SG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': 0.827, 'type': 'SH'},
	"LP1":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.06, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"LP2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 96.7, 'blen': 0.679, 'charge': -0.481, 'type': 'LP'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HSG":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.0, 'blen': 1.33, 'charge': 0.135, 'type': 'HS'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'CYSTEINE  COO- ANION',
},
"ARG": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.056, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.056, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['NE', 'NH1', 'CZ', 'NH2'], ['CD', 'CZ', 'NE', 'HE'], ['CZ', 'HH12', 'NH1', 'HH11'], ['CZ', 'HH22', 'NH2', 'HH21']],
	"HH11":{'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
	"HH12":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 22, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
	"HH21":{'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 24, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
	"HH22":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 25, 'angle': 119.8, 'blen': 1.01, 'charge': 0.361, 'type': 'H3'},
	"INTX,KFORM":['INT', '1'],
	"NE":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 111.0, 'blen': 1.48, 'charge': -0.324, 'type': 'N2'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.133, 'type': 'HC'},
	"HD3":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.133, 'type': 'HC'},
	"NAMRES":'ARGININE  COO- ANION',
	"HE":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 118.5, 'blen': 1.01, 'charge': 0.269, 'type': 'H3'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'NE', 'HE', 'CZ', 'NH1', 'HH11', 'HH12', 'NH2', 'HH21', 'HH22', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"NH2":{'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 23, 'angle': 118.0, 'blen': 1.33, 'charge': -0.624, 'type': 'N2'},
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'},
	"NH1":{'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 122.0, 'blen': 1.33, 'charge': -0.624, 'type': 'N2'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"CZ":{'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 123.0, 'blen': 1.33, 'charge': 0.76, 'type': 'CA'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.228, 'type': 'CT'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.103, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.08, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"LEU": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.033, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.033, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"NAMRES":'LEUCINE  COO- ANION',
	"HG":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG', 'CD1', 'HD11', 'HD12', 'HD13', 'CD2', 'HD21', 'HD22', 'HD23', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HD11":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
	"HD12":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
	"HD13":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
	"CD2":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.107, 'type': 'CT'},
	"CD1":{'torsion': 60.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.525, 'charge': -0.107, 'type': 'CT'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.01, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.061, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"HD21":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
	"HD23":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
	"HD22":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.034, 'type': 'HC'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"HID": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"NE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.502, 'type': 'NB'},
	"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.146, 'type': 'NA'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': 0.241, 'type': 'CR'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.228, 'type': 'H'},
	"NAMRES":'HISTIDINE DELTAH COO- ANION',
	"HE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.036, 'type': 'HC'},
	"HD":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.018, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE', 'NE2', 'CD2', 'HD', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': 0.195, 'type': 'CV'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': -0.032, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"HIE": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.0, 'blen': 1.31, 'charge': -0.146, 'type': 'NA'},
	"ND1":{'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.502, 'type': 'NB'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CE1', 'CD2', 'NE2', 'HE2']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 108.0, 'blen': 1.32, 'charge': 0.241, 'type': 'CR'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 125.0, 'blen': 1.01, 'charge': 0.228, 'type': 'H'},
	"NAMRES":'HISTIDINE EPSILON-H   COO- ANION',
	"HE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09, 'charge': 0.036, 'type': 'HC'},
	"HD":{'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.114, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'CE1', 'HE', 'NE2', 'HE2', 'CD2', 'HD', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 110.0, 'blen': 1.36, 'charge': -0.184, 'type': 'CW'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.251, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"MET": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"SD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 110.0, 'blen': 1.81, 'charge': 0.737, 'type': 'S'},
	"LP1":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'},
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE3":{'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
	"HE1":{'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0652, 'type': 'HC'},
	"NAMRES":'METHIONINE    COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'SD', 'LP1', 'LP2', 'CE', 'HE1', 'HE2', 'HE3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"CE":{'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 100.0, 'blen': 1.78, 'charge': -0.134, 'type': 'CT'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.054, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.151, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"LP2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 96.7, 'blen': 0.679, 'charge': -0.381, 'type': 'LP'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"IDBGEN,IREST,ITYPF":['1', '1', '201'],
"ALA": {	"HB2":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB1', 'HB2', 'HB3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HB1":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'ALANINE COO- ANION',
},
"PHE": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"INTX,KFORM":['INT', '1'],
	"HD2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09, 'charge': 0.058, 'type': 'HC'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.058, 'type': 'HC'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 120.0, 'blen': 1.4, 'charge': -0.069, 'type': 'CA'},
	"NAMRES":'PHENYLALANINE COO- ANION',
	"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4, 'charge': -0.069, 'type': 'CA'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ', 'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4, 'charge': -0.059, 'type': 'CA'},
	"CE2":{'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4, 'charge': -0.059, 'type': 'CA'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"CZ":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4, 'charge': -0.065, 'type': 'CA'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.055, 'type': 'CA'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 24, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 22, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"HZ":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09, 'charge': 0.062, 'type': 'HC'},
},
"CYX": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0495, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.0495, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'LP1', 'LP2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"SG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81, 'charge': 0.824, 'type': 'S'},
	"LP1":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"LP2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679, 'charge': -0.4045, 'type': 'LP'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'CYSTINE(S-S BRIDGE)     COO- ANION',
},
"PRO": {	"HB2":{'torsion': 136.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.061, 'type': 'HC'},
	"HB3":{'torsion': 256.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.061, 'type': 'HC'},
	"impropTors":[['CA', 'OXT', 'C', 'O'], ['-M', 'CA', 'N', 'CD']],
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 98.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
	"HG2":{'torsion': 218.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.063, 'type': 'HC'},
	"CD":{'torsion': 356.1, 'tree': '3', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458, 'charge': -0.012, 'type': 'CT'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"loopList":[['CA', 'CB']],
	"HD2":{'torsion': 80.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09, 'charge': 0.06, 'type': 'HC'},
	"HD3":{'torsion': 320.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.06, 'type': 'HC'},
	"NAMRES":'PROLINE COO- ANION',
	"atNameList":['N', 'CD', 'HD2', 'HD3', 'CG', 'HG2', 'HG3', 'CB', 'HB2', 'HB3', 'CA', 'HA', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 81.1, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337, 'charge': -0.229, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 200.1, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 103.2, 'blen': 1.5, 'charge': -0.121, 'type': 'CT'},
	"CA":{'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 14, 'angle': 120.6, 'blen': 1.451, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 338.3, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 11, 'angle': 106.0, 'blen': 1.51, 'charge': -0.115, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 0.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.438, 'type': 'C'},
},
"LYS": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HZ2":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'},
	"HZ3":{'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 23, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HZ1":{'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01, 'charge': 0.294, 'type': 'H3'},
	"NZ":{'torsion': 180.0, 'tree': '3', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47, 'charge': -0.138, 'type': 'N3'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 25, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.116, 'type': 'HC'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.116, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE3":{'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.098, 'type': 'HC'},
	"HE2":{'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.098, 'type': 'HC'},
	"HD2":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.122, 'type': 'HC'},
	"HD3":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.122, 'type': 'HC'},
	"NAMRES":'LYSINE  COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE', 'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'HZ3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.18, 'type': 'CT'},
	"CE":{'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.038, 'type': 'CT'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.16, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 26, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 24, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"NAMDBF":'db4.dat',
"SER": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.119, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.119, 'type': 'HC'},
	"HG":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'OG', 'HG', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.018, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"OG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'SERINE  COO- ANION',
},
"ASP": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.398, 'type': 'CT'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CG":{'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527, 'charge': 0.714, 'type': 'C'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"OD2":{'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
	"OD1":{'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 16, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'ASPARTIC ACID COO- ANION',
},
"GLN": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"NE2":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 116.6, 'blen': 1.335, 'charge': -0.867, 'type': 'N'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'NE2', 'CD', 'OE1'], ['CD', 'HE21', 'NE2', 'HE22']],
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"NAMRES":'GLUTAMINE     COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'NE2', 'HE21', 'HE22', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HE21":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"HE22":{'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01, 'charge': 0.344, 'type': 'H'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 111.1, 'blen': 1.522, 'charge': 0.675, 'type': 'C'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525, 'charge': -0.102, 'type': 'CT'},
	"OE1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229, 'charge': -0.47, 'type': 'O'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"GLU": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.092, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.092, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
	"INTX,KFORM":['INT', '1'],
	"HG3":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
	"HG2":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.071, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"OE2":{'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
	"NAMRES":'GLUTAMIC ACID COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"CD":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527, 'charge': 0.714, 'type': 'C'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51, 'charge': -0.398, 'type': 'CT'},
	"OE1":{'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26, 'charge': -0.721, 'type': 'O2'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.184, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"TRP": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.038, 'type': 'HC'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 28, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"HZ2":{'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09, 'charge': 0.084, 'type': 'HC'},
	"HZ3":{'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09, 'charge': 0.057, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CD1', 'CE2', 'NE1', 'HE1'], ['CE2', 'CH2', 'CZ2', 'HZ2'], ['CZ2', 'CZ3', 'CH2', 'HH2'], ['CH2', 'CE3', 'CZ3', 'HZ3'], ['CZ3', 'CD2', 'CE3', 'HE3']],
	"CH2":{'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 116.0, 'blen': 1.39, 'charge': -0.077, 'type': 'CA'},
	"CZ3":{'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 21, 'angle': 121.0, 'blen': 1.35, 'charge': -0.066, 'type': 'CA'},
	"NE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 107.0, 'blen': 1.43, 'charge': -0.352, 'type': 'NA'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HE3":{'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'},
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09, 'charge': 0.093, 'type': 'HC'},
	"HE1":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 125.5, 'blen': 1.01, 'charge': 0.271, 'type': 'H'},
	"NAMRES":'TRYPTOPHAN    COO- ANION',
	"CD1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 127.0, 'blen': 1.34, 'charge': 0.044, 'type': 'CW'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'NE1', 'HE1', 'CE2', 'CZ2', 'HZ2', 'CH2', 'HH2', 'CZ3', 'HZ3', 'CE3', 'HE3', 'CD2', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 117.0, 'blen': 1.4, 'charge': 0.146, 'type': 'CB'},
	"CE2":{'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': 0.154, 'type': 'CN'},
	"CE3":{'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 23, 'angle': 122.0, 'blen': 1.41, 'charge': -0.173, 'type': 'CA'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': -0.135, 'type': 'C*'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"CZ2":{'torsion': 180.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 128.0, 'blen': 1.4, 'charge': -0.168, 'type': 'CA'},
	"loopList":[['CG', 'CD2'], ['CE2', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"HH2":{'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09, 'charge': 0.074, 'type': 'HC'},
},
"GLY": {	"HA3":{'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09, 'charge': 0.032, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA2', 'HA3', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HA2":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.032, 'type': 'HC'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 110.4, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 11, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'GLYCINE COO- ANION',
},
"THR": {	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'OG1', 'HG1', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'},
	"HB":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.082, 'type': 'HC'},
	"HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': 0.17, 'type': 'CT'},
	"HG1":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.47, 'blen': 0.96, 'charge': 0.31, 'type': 'HO'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.065, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"INTX,KFORM":['INT', '1'],
	"OG1":{'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.43, 'charge': -0.55, 'type': 'OH'},
	"CG2":{'torsion': 300.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.191, 'type': 'CT'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 18, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"NAMRES":'THREONINE     COO- ANION',
},
"HIP": {	"HB2":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'},
	"HB3":{'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09, 'charge': 0.086, 'type': 'HC'},
	"NE2":{'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31, 'charge': -0.058, 'type': 'NA'},
	"ND1":{'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39, 'charge': -0.058, 'type': 'NA'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'], ['CE1', 'CD2', 'NE2', 'HE2']],
	"CE1":{'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32, 'charge': 0.114, 'type': 'CR'},
	"INTX,KFORM":['INT', '1'],
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"HD1":{'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01, 'charge': 0.306, 'type': 'H'},
	"HE2":{'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 125.0, 'blen': 1.01, 'charge': 0.306, 'type': 'H'},
	"NAMRES":'HISTIDINE PLUS COO-',
	"HE":{'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09, 'charge': 0.158, 'type': 'HC'},
	"HD":{'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09, 'charge': 0.153, 'type': 'HC'},
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE', 'NE2', 'HE2', 'CD2', 'HD', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"CD2":{'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 110.0, 'blen': 1.36, 'charge': -0.037, 'type': 'CW'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CG":{'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51, 'charge': 0.058, 'type': 'CC'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.098, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"loopList":[['CG', 'CD2']],
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"VAL": {	"HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
	"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
	"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
	"HG13":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
	"HG12":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
	"HG11":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.031, 'type': 'HC'},
	"INTX,KFORM":['INT', '1'],
	"CG2":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.091, 'type': 'CT'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CG1":{'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.091, 'type': 'CT'},
	"NAMRES":'VALINE  COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG1', 'HG11', 'HG12', 'HG13', 'CG2', 'HG21', 'HG22', 'HG23', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HB":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.024, 'type': 'HC'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525, 'charge': -0.012, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 20, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
},
"ILE": {	"HG22":{'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'},
	"HG23":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'},
	"HG21":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09, 'charge': 0.029, 'type': 'HC'},
	"HD13":{'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'},
	"HG13":{'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
	"HG12":{'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09, 'charge': 0.027, 'type': 'HC'},
	"INTX,KFORM":['INT', '1'],
	"CG2":{'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525, 'charge': -0.085, 'type': 'CT'},
	"IFIXC,IOMIT,ISYMDU,IPOS":['CORR', 'OMIT', 'DU', 'BEG'],
	"CG1":{'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525, 'charge': -0.049, 'type': 'CT'},
	"NAMRES":'ISOLEUCINE    COO- ANION',
	"atNameList":['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'CG1', 'HG12', 'HG13', 'CD1', 'HD11', 'HD12', 'HD13', 'C', 'O', 'OXT'],
	"DUMM":[['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'], ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'], ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
	"HD11":{'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'},
	"HD12":{'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09, 'charge': 0.028, 'type': 'HC'},
	"HB":{'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09, 'charge': 0.022, 'type': 'HC'},
	"CD1":{'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525, 'charge': -0.085, 'type': 'CT'},
	"HA":{'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09, 'charge': 0.048, 'type': 'HC'},
	"N":{'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335, 'charge': -0.463, 'type': 'N'},
	"O":{'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"H":{'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01, 'charge': 0.252, 'type': 'H'},
	"CA":{'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449, 'charge': 0.035, 'type': 'CT'},
	"CB":{'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.47, 'blen': 1.525, 'charge': -0.012, 'type': 'CT'},
	"OXT":{'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 23, 'angle': 120.5, 'blen': 1.229, 'charge': -0.706, 'type': 'O2'},
	"CUT":['0.00000'],
	"C":{'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522, 'charge': 0.524, 'type': 'C'},
	"impropTors":[['-M', 'CA', 'N', 'H'], ['CA', 'OXT', 'C', 'O']],
},
"filename":'allct.in',
}